GaN-based heterostructures: electric--static equilibrium and boundary conditions

In the GaN-based heterostructures, this paper reports that the strong electric fields induced by polarization effects at the structure boundaries complicate the electric--static equilibrium and the boundary conditions. The basic requirements of electric--static equilibrium for the heterostructure systems are discussed first, and it is deduced that in the application of the coupled Schr\"{o}dinger--Poisson model to the heterostructures of electric--static equilibrium state, zero external electric field guarantees the overall electric neutrality, and there is no need to introduce the charge balance equation. Then the relation between the screening of the polar charges in GaN-based heterostructures and the possible boundary conditions of the Poisson equation is analysed, it is shown that the various boundary conditions are equivalent to each other, and the surface charge, which can be used in studying the screening of the polar charges, can be precisely solved even if only the conduction band energy is correctly known at the surface. Finally, through the calculations on an AlGaN/GaN heterostructure with typical structure parameters by the coupled Schr\"{o}dinger--Poisson model under the various boundary conditions, the correctness of the above analyses are validated.     

Tuning of surface boundary conditions for the 3D simulation of gated heterostructures

We propose a method for treating the boundary conditions at the exposed surface of semiconductor nanostructures, and compare the results from simulations based on such a method with experimental measurements on test devices defined electrostatically by metal gates on AlGaAs/GaAs heterostructures. In particular, we show that the pinch-off voltage of quantum point contacts realized with split gates can be reasonably reproduced, provided the lithographic gap is small enough.     

Renormalization group analysis of boundary conditions in potential scattering

We analyze how a short distance boundary condition for the Schrödinger equation must change as a function of the boundary radius by imposing the physical requirement of phase shift independence on the boundary condition. The resulting equation can be interpreted as a variable phase equation of a complementary boundary value problem. We discuss the corresponding infrared fixed points and the perturbative expansion around them generating a short distance modified effective range theory. We also discuss ultraviolet fixed points, limit cycles, and attractors with a given fractality which take place for singular attractive potentials at the origin. The scaling behavior of scattering observables can analytically be determined and is studied with some emphasis on the low energy nucleon-nucleon interaction via singular pion exchange potentials. The generalization to coupled channels is also studied.     

Optical characteristics of quantum-well heterostructures in saturation conditions

The resalts of theoretical investugation for spectral characterstics of gain, refraction index of QW heterostructures depending on quantum layer thickness the value of saturation field, as well as their field dependence are presented.     

An exact analytical approach to the free vibration analysis of rectangular plates with mixed boundary conditions

A comprehensive analytical technique is developed for the free vibration analysis of rectangular plates with discontinuities along the boundaries. For illustrative purposes a solution is obtained for plates with edges partially clamped and partially simply supported and plates with edges partially and partially simply supported. A vast array of first mode eigenvalues is provided for these families of plates. Solutions to the equations are obtained by exploiting a mathematical technique described by the author during an earlier publication. It is shown that eigenvalue matrices are easily generated for a wide range of plates with discontinuities in boundary conditions.     

Symmetry boundary conditions

A simple approach to energy conserving boundary conditions using exact symmetries is described which is especially useful for numerical simulations using the finite difference method. Each field in the simulation is normally either symmetric (even) or antisymmetric (odd) with respect to the simulation boundary. Another possible boundary condition is an antisymmetric perturbation about a nonzero value. One of the most powerful aspects of this approach is that it can be easily implemented in curvilinear coordinates by making the scale factors of the coordinate transformation symmetric about the boundaries. The method is demonstrated for magnetohydrodynamics (MHD), reduced MHD, and a hybrid code with particle ions and fluid electrons. These boundary conditions yield exact energy conservation in the limit of infinite time and space resolution. Also discussed is the interpretation that the particle charge reverses sign at a conducting boundary with boundary normal perpendicular to the background magnetic field.     

An improved bounce-back scheme for complex boundary conditions in lattice Boltzmann method

In recent years, the lattice Boltzmann method (LBM) has been widely adopted to simulate various fluid systems, and the boundary treatment has been an active topic during the LBM development. In this paper, we present a novel approach to improve the bounce-back boundary treatment for moving surfaces with arbitrary configurations. We follow the framework originally proposed by Ladd [A.J.C. Ladd, Numerical simulations of particulate suspensions via a discretized Boltzman equation. Part 1. Theoretical foundation, Journal of Fluid Mechanics 271 (1994) 285–309]; however, the adjustment in the density distribution during the bouncing-back process at the boundary is calculated using the midpoint velocity inter-/extrapolated from the boundary and fluid velocities, instead of the real boundary velocity in the Ladd method. This modification ensures that the bouncing-back process and the density distribution adjustment both take place at a same location: the midpoint of a boundary lattice link, and thus removes the discrepancy of bouncing-back at the midpoint but density distribution adjustment at the boundary point in the original Ladd method. When compared with other existing boundary models, this method involves a simpler algorithm and exhibits a comparable or even better accuracy in describing flow field and flow-structure interaction, as demonstrated by several test simulations. Therefore, this boundary method could be considered as a competitive alternative for boundary treatment in LBM simulations, especially for particulate and porous flows with large fluid–solid interfacial areas.     

Acoustic analysis of a rectangular cavity with general impedance boundary conditions

A Fourier series method is proposed for the acoustic analysis of a rectangular cavity with impedance boundary conditions arbitrarily specified on any of the walls. The sound pressure is expressed as the combination of a three-dimensional Fourier cosine series and six supplementary two-dimensional expansions introduced to ensure (accelerate) the uniform and absolute convergence (rate) of the series representation in the cavity including the boundary surfaces. The expansion coefficients are determined using the Rayleigh-Ritz method. Since the pressure field is constructed adequately smooth throughout the entire solution domain, the Rayleigh-Ritz solution is mathematically equivalent to what is obtained from a strong formulation based on directly solving the governing equations and the boundary conditions. To unify the treatments of arbitrary nonuniform impedance boundary conditions, the impedance distribution function on each specified surface is invariantly expressed as a double Fourier series expansion so that all the relevant integrals can be calculated analytically. The modal parameters for the acoustic cavity can be simultaneously obtained from solving a standard matrix eigenvalue problem instead of iteratively solving a nonlinear transcendental equation as in the existing methods. Several numerical examples are presented to demonstrate the effectiveness and reliability of the current method for various impedance boundary conditions, including nonuniform impedance distributions.     

Probability of boundary conditions in quantum cosmology

One of the main interest in quantum cosmology is to determine boundary conditions for the wave function of the universe which can predict observational data of our universe. For this purpose, we solve the Wheeler–DeWitt equation for a closed universe with a scalar field numerically and evaluate probabilities for boundary conditions of the wave function of the universe. To impose boundary conditions of the wave function, we use exact solutions of the Wheeler–DeWitt equation with a constant scalar field potential. These exact solutions include wave functions with well known boundary condition proposals, the no-boundary proposal and the tunneling proposal. We specify the exact solutions by introducing two real parameters to discriminate boundary conditions, and obtain the probability for these parameters under the requirement of sufficient e-foldings of the inflation. The probability distribution of boundary conditions prefers the tunneling boundary condition to the no-boundary boundary condition. Furthermore, for large values of a model parameter related to the inflaton mass and the cosmological constant, the probability of boundary conditions selects an unique boundary condition different from the tunneling type.     

Rayleigh-Ritz axial buckling analysis of single-walled carbon nanotubes with different boundary conditions

Eringen's nonlocality is incorporated into the shell theory to include the small-scale effects on the axial buckling of single-walled carbon nanotubes (SWCNTs) with arbitrary boundary conditions. To this end, the Rayleigh-Ritz solution technique is implemented in conjunction with the set of beam functions as modal displacement functions. Then, molecular dynamics simulations are employed to obtain the critical buckling loads of armchair and zigzag SWCNTs, the results of which are matched with those of nonlocal shell model to extract the appropriate values of nonlocal parameter. It is found that in contrast to the chirality, boundary conditions have a considerable influence on the proper values of nonlocal parameter.     

A two-dimensional vibration analysis of piezoelectrically actuated microbeam with nonideal boundary conditions

In this paper, the influences of nonideal boundary conditions (due to flexibility) on the primary resonant behavior of a piezoelectrically actuated microbeam have been studied, for the first time. The structure has been assumed to treat as an Euler–Bernoulli beam, considering the effects of geometric nonlinearity. In this work, the general nonideal supports have been modeled as a the combination of horizontal, vertical and rotational springs, simultaneously. Allocating particular values to the stiffness of these springs provides the mathematical models for the majority of boundary conditions. This consideration leads to use a two-dimensional analysis of the multiple scales method instead of previous works' method (one-dimensional analysis). If one neglects the nonideal effects, then this paper would be an effort to solve the two-dimensional equations of motion without a need of a combination of these equations using the shortening or stretching effect. Letting the nonideal effects equal to zero and comparing their results with the results of previous approaches have been demonstrated the accuracy of the two-dimensional solutions. The results have been identified the unique effects of constraining and stiffening of boundaries in horizontal, vertical and rotational directions. This means that it is inaccurate to suppose the nonideality of supports only in one or two of these directions like as previous works. The findings are of vital importance as a better prediction of the frequency response for the nonideal supports. Furthermore, the main findings of this effort can help to choose appropriate boundary conditions for desired systems.     

An analysis of a tracer release in low-wind conditions

Summary Low-wind conditions are frequent at the Joint Research Centre of Ispra, which is located at the Northern tip of the Po valley. During these conditions, tracer releases have been performed (with the source) at ground level. The results of the measurements have been analysed and the simulation of the puff behaviour has been performed, using a segmented Gaussian plume model, as well as with an improved Monte Carlo Lagrangian computer code with micrometeorological parameters obtained from a station in the Centre. In general, the agreement between calculated and experimental results can be considered satisfactory. Paper presented at the GNFAO/EURASAP Meeting, Turin, September 1989. To speed up publication, proofs were not sent to the authors and were supervised by the Scientific Committee.     

Vibration analysis of functionally graded annular plates with mixed boundary conditions in thermal environment

The free vibration analysis of functionally graded annular plates with mixed boundary conditions in thermal environment is carried out by the 3D elasticity theory and the Chebyshev–Ritz method. The material properties are assumed to be temperature dependent and graded in the thickness direction. The mixed boundary conditions which include upper and lower surfaces partially fixed, inner side partially fixed and outer side partially fixed are considered, respectively. The accuracy of the present approach for solving the free vibration of the plates with different boundary conditions is validated by comparing the present numerical results with the results available. The effects of the different mixed boundary conditions, the temperature rise, the material graded index and the geometrical parameters on the eigen-frequencies are studied.     

On boundary conditions in three-dimensional AdS gravity

A finite action principle for three-dimensional gravity with negative cosmological constant, based on a boundary condition for the asymptotic extrinsic curvature, is considered. The bulk action appears naturally supplemented by a boundary term that is one half the Gibbons–Hawking term, that makes the Euclidean action and the Noether charges finite without additional Dirichlet counterterms. The consistency of this boundary condition with the Dirichlet problem in AdS gravity and the Chern–Simons formulation in three dimensions, and its suitability for the higher odd-dimensional case, are also discussed.     

On the equivalence of boundary conditions

We show that ifb andb are two boundary conditions (b.c.) for general spin systems on ^d such that the difference in the energies of a spin configuration in ^d is uniformly bounded, |H _,b ()–H _,b()|C < , then any infinite-volume Gibbs states and obtained with these b.c. have the same measure-zero sets. This implies that the decompositions of and into extremal Gibbs states are equivalent (mutually absolutely continuous). In particular, if is extremal,=. Application of this observation yields in an easy way (among other things) (a) the uniqueness of the Gibbs states for one-dimensional systems with forces that are not too long-range; (b) the fact that various b.c. that are natural candidates for producing non-translation-invariant Gibbs states cannot lead to such an extremal Gibbs state in two dimensions.Supported in part by NSF Grant PHY 78–15920 and by the Swiss National Foundation For Scientific Research.